CAS RN: 548-83-4

Galangin

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  • Product code: ICTG0370
  • Purity/Analytical Methods: >98.0%(GC)
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548-83-4 / 3,5,7-trihydroxy-2-phenylchromen-4-one

Standard CAS: 548-83-4 Multi CAS: Yes

Basic Information

CAS
548-83-4
Multi CAS
Yes
Molecular Formula
C15H10O5
Molecular Weight
270.240000
Exact Mass
270.052823
InChI
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
InChIKey
VCCRNZQBSJXYJD-UHFFFAOYSA-N

Physical Properties

Melting Point
217 - 218 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
72.91
TPSA
90.9

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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